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22,29,30-Trinor-17.alpha.-hopan-21(.beta.)-ol
SpectraBase Compound ID JplKhVOzx5l
InChI InChI=1S/C27H46O/c1-23(2)13-7-14-25(4)20(23)12-17-27(6)22(25)9-8-21-24(3)15-11-19(28)18(24)10-16-26(21,27)5/h18-22,28H,7-17H2,1-6H3/t18?,19-,20?,21?,22?,24+,25+,26-,27-/m1/s1
InChIKey UZHDZBRZLMNGOM-RZBRGYKYSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13kbSi1n88f
Name 22,29,30-Trinor-17.alpha.-hopan-21(.beta.)-ol
Alternate Name(s) (3R,5aR,5bR,11aS,13bR)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-23(2)13-7-14-25(4)20(23)12-17-27(6)22(25)9-8-21-24(3)15-11-19(28)18(24)10-16-26(21,27)5/h18-22,28H,7-17H2,1-6H3/t18?,19-,20?,21?,22?,24+,25+,26-,27-/m1/s1
InChIKey UZHDZBRZLMNGOM-RZBRGYKYSA-N
Molecular Weight 386.664 g/mol
SMILES O[C@]1(C2CC[C@]3([C@]4(C([C@]5(CCCC(C5CC4)(C)C)C)CCC3[C@]2(CC1)C)C)C)[H]
SPLASH splash10-0006-0903000000-e4043abe81ba47417f08
Source of Spectrum F-53-5771-8
Wiley ID 801866